5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one

C14H16BrN3OS — CID 136729648

IUPAC5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(Cc2nc(C3CCCC3)c(Br)c(=O)[nH]2)cs1
InChIInChI=1S/C14H16BrN3OS/c1-8-16-10(7-20-8)6-11-17-13(9-4-2-3-5-9)12(15)14(19)18-11/h7,9H,2-6H2,1H3,(H,17,18,19)
InChIKeySMBZZBVIMISWKP-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.55
Rot. Bonds3

About 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 136729648) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
PubChem CID136729648
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(Cc2nc(C3CCCC3)c(Br)c(=O)[nH]2)cs1
InChIInChI=1S/C14H16BrN3OS/c1-8-16-10(7-20-8)6-11-17-13(9-4-2-3-5-9)12(15)14(19)18-11/h7,9H,2-6H2,1H3,(H,17,18,19)
InChIKeySMBZZBVIMISWKP-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-bromo-6-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-thione
CID 106482214
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
CID 136964464
4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 63611571
5-bromo-4-cyclopentyl-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 136729636
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 114206203
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730042
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (CID 136729648) is 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is Cc1nc(Cc2nc(C3CCCC3)c(Br)c(=O)[nH]2)cs1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is SMBZZBVIMISWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-8-16-10(7-20-8)6-11-17-13(9-4-2-3-5-9)12(15)14(19)18-11/h7,9H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 354.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136729648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).